CHEMBL3144468


SMILES CC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O
InChIKey HINHHXIQNCLTAZ-DRCLDXGDSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 10
Rotatable bonds 22
Molecular weight (Da) 900.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pKi 7.14 7.14 7.14 ChEMBL
μ OPRM Human Opioid A pKi 5.59 5.59 5.59 ChEMBL
κ OPRK Human Opioid A pKi 5.37 5.37 5.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database